1-cyano-N-iodocyclopropane-1-carboxamide

C5H5IN2O — CID 137389788

IUPAC1-cyano-N-iodocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NI)CC1
InChIInChI=1S/C5H5IN2O/c6-8-4(9)5(3-7)1-2-5/h1-2H2,(H,8,9)
InChIKeyBEVSJJFRKNJFHD-UHFFFAOYSA-N
MW236.01 g/mol
LogP0.76
Rot. Bonds1

About 1-cyano-N-iodocyclopropane-1-carboxamide

1-cyano-N-iodocyclopropane-1-carboxamide (PubChem CID 137389788) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 1-cyano-N-iodocyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-iodocyclopropane-1-carboxamide
PubChem CID137389788
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name1-cyano-N-iodocyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NI)CC1
InChIInChI=1S/C5H5IN2O/c6-8-4(9)5(3-7)1-2-5/h1-2H2,(H,8,9)
InChIKeyBEVSJJFRKNJFHD-UHFFFAOYSA-N
XLogP0.76
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-iodocyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-iodocyclopropane-1-carboxamide (CID 137389788) is 1-cyano-N-iodocyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-iodocyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-iodocyclopropane-1-carboxamide is N#CC1(C(=O)NI)CC1.
What is the InChIKey of 1-cyano-N-iodocyclopropane-1-carboxamide?
The InChIKey is BEVSJJFRKNJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c6-8-4(9)5(3-7)1-2-5/h1-2H2,(H,8,9).
What are the key properties of 1-cyano-N-iodocyclopropane-1-carboxamide?
1-cyano-N-iodocyclopropane-1-carboxamide has a molecular weight of 236.01 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-iodocyclopropane-1-carboxamide is sourced from PubChem (CID 137389788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).